2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide

C20H25BrN2O — CID 9263745

IUPAC2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
SMILESCC[C@H](NCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O/c1-2-19(17-10-12-18(21)13-11-17)23-15-20(24)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19,23H,2,6,9,14-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyRYWYOSUDZPQGNC-IBGZPJMESA-N
MW389.34 g/mol
LogP4.24
Rot. Bonds9

About 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide (PubChem CID 9263745) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
PubChem CID9263745
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
SMILESCC[C@H](NCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O/c1-2-19(17-10-12-18(21)13-11-17)23-15-20(24)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19,23H,2,6,9,14-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyRYWYOSUDZPQGNC-IBGZPJMESA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
methyl 4-[[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetyl]amino]methyl]benzoate
CID 9263688
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 63182961
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide (CID 9263745) is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide is CC[C@H](NCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is RYWYOSUDZPQGNC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-2-19(17-10-12-18(21)13-11-17)23-15-20(24)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19,23H,2,6,9,14-15H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide?
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 389.34 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 9263745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).