(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide

C19H28N2O — CID 98690157

IUPAC(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide
SMILESC[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H28N2O/c1-13(17-12-14-9-10-16(17)11-14)20-18(19(22)21(2)3)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3/t13-,14-,16-,17+,18+/m0/s1
InChIKeyVGONDMIXYVHBEN-GCDKYVQMSA-N
MW300.45 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide

(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide (PubChem CID 98690157) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide
PubChem CID98690157
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide
SMILESC[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H28N2O/c1-13(17-12-14-9-10-16(17)11-14)20-18(19(22)21(2)3)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3/t13-,14-,16-,17+,18+/m0/s1
InChIKeyVGONDMIXYVHBEN-GCDKYVQMSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide 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

(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 98430928
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpropanamide
CID 43085453
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
(E)-N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylprop-2-enamide
CID 98510446
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557000
(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-bis[(Z)-2-chloro-2-phenylethenyl]phosphorylethanamine
CID 50930527
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 129376930
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 79764561
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide (CID 98690157) is (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide is C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is VGONDMIXYVHBEN-GCDKYVQMSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13(17-12-14-9-10-16(17)11-14)20-18(19(22)21(2)3)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3/t13-,14-,16-,17+,18+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide?
(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 300.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 98690157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).