3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide

C20H23ClN2O — CID 119951110

IUPAC3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O/c21-17-9-7-16(8-10-17)20(11-4-12-20)14-23-19(24)13-18(22)15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-14,22H2,(H,23,24)
InChIKeyBUOPFRPUSFLJIV-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.97
Rot. Bonds6

About 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide

3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide (PubChem CID 119951110) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
PubChem CID119951110
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O/c21-17-9-7-16(8-10-17)20(11-4-12-20)14-23-19(24)13-18(22)15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-14,22H2,(H,23,24)
InChIKeyBUOPFRPUSFLJIV-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
CID 119951995
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide (CID 119951110) is 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide is NC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide?
The InChIKey is BUOPFRPUSFLJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-17-9-7-16(8-10-17)20(11-4-12-20)14-23-19(24)13-18(22)15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-14,22H2,(H,23,24).
What are the key properties of 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide?
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide has a molecular weight of 342.87 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119951110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).