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

C22H27N3O — CID 119743286

IUPAC3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-14(15-5-3-2-4-6-15)24-18-9-11-19(12-10-18)25-22(26)20-16-7-8-17(13-16)21(20)23/h2-6,9-12,14,16-17,20-21,24H,7-8,13,23H2,1H3,(H,25,26)
InChIKeyPMCMEIBWMZSSPT-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.17
Rot. Bonds5

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

3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119743286) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119743286
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-14(15-5-3-2-4-6-15)24-18-9-11-19(12-10-18)25-22(26)20-16-7-8-17(13-16)21(20)23/h2-6,9-12,14,16-17,20-21,24H,7-8,13,23H2,1H3,(H,25,26)
InChIKeyPMCMEIBWMZSSPT-UHFFFAOYSA-N
XLogP4.17
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119722000
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697295
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
3-amino-N-(6-benzamido-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119893876
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119743286) is 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(Nc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PMCMEIBWMZSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-14(15-5-3-2-4-6-15)24-18-9-11-19(12-10-18)25-22(26)20-16-7-8-17(13-16)21(20)23/h2-6,9-12,14,16-17,20-21,24H,7-8,13,23H2,1H3,(H,25,26).
What are the key properties of 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119743286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).