3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C23H28N4O2 — CID 119722000

IUPAC3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H28N4O2/c1-14(25-22(28)20-16-7-8-17(13-16)21(20)24)15-9-11-19(12-10-15)27-23(29)26-18-5-3-2-4-6-18/h2-6,9-12,14,16-17,20-21H,7-8,13,24H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyNOOVLRLIPKWGLW-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.88
Rot. Bonds5

About 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119722000) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119722000
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H28N4O2/c1-14(25-22(28)20-16-7-8-17(13-16)21(20)24)15-9-11-19(12-10-15)27-23(29)26-18-5-3-2-4-6-18/h2-6,9-12,14,16-17,20-21H,7-8,13,24H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyNOOVLRLIPKWGLW-UHFFFAOYSA-N
XLogP3.88
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119743286
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
(1S,2S,3R,4R)-3-[[(1R)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922437
(2S,5R)-5-(aminomethyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787279
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830321

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119722000) is 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1C2CCC(C2)C1N)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NOOVLRLIPKWGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14(25-22(28)20-16-7-8-17(13-16)21(20)24)15-9-11-19(12-10-15)27-23(29)26-18-5-3-2-4-6-18/h2-6,9-12,14,16-17,20-21H,7-8,13,24H2,1H3,(H,25,28)(H2,26,27,29).
What are the key properties of 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).