3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide

C19H22N2O2 — CID 119951561

IUPAC3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(OCC2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c20-18(15-4-2-1-3-5-15)12-19(22)21-16-8-10-17(11-9-16)23-13-14-6-7-14/h1-5,8-11,14,18H,6-7,12-13,20H2,(H,21,22)
InChIKeyXSHRGJHCAJVCPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.50
Rot. Bonds7

About 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide

3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide (PubChem CID 119951561) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
PubChem CID119951561
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(OCC2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c20-18(15-4-2-1-3-5-15)12-19(22)21-16-8-10-17(11-9-16)23-13-14-6-7-14/h1-5,8-11,14,18H,6-7,12-13,20H2,(H,21,22)
InChIKeyXSHRGJHCAJVCPY-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
CID 120592361
methyl 4-[4-[(3-amino-3-phenylpropanoyl)amino]phenoxy]butanoate;hydrochloride
CID 119951488
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582
3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119950653
3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
CID 120610801
2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
CID 119325264
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide (CID 119951561) is 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide is NC(CC(=O)Nc1ccc(OCC2CC2)cc1)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is XSHRGJHCAJVCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-18(15-4-2-1-3-5-15)12-19(22)21-16-8-10-17(11-9-16)23-13-14-6-7-14/h1-5,8-11,14,18H,6-7,12-13,20H2,(H,21,22).
What are the key properties of 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide?
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119951561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).