3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C20H29N3O3 — CID 119717787

IUPAC3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C20H29N3O3/c1-2-26-10-4-9-22-19(24)15-5-3-6-16(12-15)23-20(25)17-13-7-8-14(11-13)18(17)21/h3,5-6,12-14,17-18H,2,4,7-11,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyJQFLIAJXIUEFKC-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.15
Rot. Bonds8

About 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119717787) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119717787
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C20H29N3O3/c1-2-26-10-4-9-22-19(24)15-5-3-6-16(12-15)23-20(25)17-13-7-8-14(11-13)18(17)21/h3,5-6,12-14,17-18H,2,4,7-11,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyJQFLIAJXIUEFKC-UHFFFAOYSA-N
XLogP2.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119286246
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119717787) is 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)C2C3CCC(C3)C2N)c1.
What is the InChIKey of 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JQFLIAJXIUEFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-26-10-4-9-22-19(24)15-5-3-6-16(12-15)23-20(25)17-13-7-8-14(11-13)18(17)21/h3,5-6,12-14,17-18H,2,4,7-11,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119717787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).