N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide

C20H29N3O2 — CID 154772117

IUPACN-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C(=O)NCCNC(=O)CC(N)c2ccccc2)CC2CCC1C2
InChIInChI=1S/C20H29N3O2/c1-20(13-14-7-8-16(20)11-14)19(25)23-10-9-22-18(24)12-17(21)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyXWWSIIHSKCDYDC-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.14
Rot. Bonds7

About N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide

N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154772117) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154772117
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C(=O)NCCNC(=O)CC(N)c2ccccc2)CC2CCC1C2
InChIInChI=1S/C20H29N3O2/c1-20(13-14-7-8-16(20)11-14)19(25)23-10-9-22-18(24)12-17(21)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyXWWSIIHSKCDYDC-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-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-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 166247680
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950772
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119952000
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 154772117) is N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide is CC1(C(=O)NCCNC(=O)CC(N)c2ccccc2)CC2CCC1C2.
What is the InChIKey of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XWWSIIHSKCDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(13-14-7-8-16(20)11-14)19(25)23-10-9-22-18(24)12-17(21)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154772117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).