3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C29H32N2O4 — CID 98750791

IUPAC3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C29H32N2O4/c1-18(23-14-19-11-12-22(23)13-19)30-28(32)17-35-27-16-21-8-4-3-7-20(21)15-24(27)29(33)31-25-9-5-6-10-26(25)34-2/h3-10,15-16,18-19,22-23H,11-14,17H2,1-2H3,(H,30,32)(H,31,33)/t18-,19-,22-,23+/m0/s1
InChIKeyHZGODJXDEGJYTO-DHNNRRLOSA-N
MW472.59 g/mol
LogP5.42
Rot. Bonds8

About 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 98750791) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID98750791
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C29H32N2O4/c1-18(23-14-19-11-12-22(23)13-19)30-28(32)17-35-27-16-21-8-4-3-7-20(21)15-24(27)29(33)31-25-9-5-6-10-26(25)34-2/h3-10,15-16,18-19,22-23H,11-14,17H2,1-2H3,(H,30,32)(H,31,33)/t18-,19-,22-,23+/m0/s1
InChIKeyHZGODJXDEGJYTO-DHNNRRLOSA-N
XLogP5.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750790
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 46559779
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326
methyl (E)-3-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate
CID 46535842
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496752
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46449850

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 98750791) is 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is HZGODJXDEGJYTO-DHNNRRLOSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-18(23-14-19-11-12-22(23)13-19)30-28(32)17-35-27-16-21-8-4-3-7-20(21)15-24(27)29(33)31-25-9-5-6-10-26(25)34-2/h3-10,15-16,18-19,22-23H,11-14,17H2,1-2H3,(H,30,32)(H,31,33)/t18-,19-,22-,23+/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 98750791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).