N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide

C20H26N2O — CID 56997578

IUPACN-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide
SMILESCNC(=O)c1ccc(CC[C@H](C)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(22-16(2)18-7-5-4-6-8-18)9-10-17-11-13-19(14-12-17)20(23)21-3/h4-8,11-16,22H,9-10H2,1-3H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyUZIAVHIKBPNQKR-HOTGVXAUSA-N
MW310.44 g/mol
LogP3.72
Rot. Bonds7

About N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide

N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide (PubChem CID 56997578) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide
PubChem CID56997578
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide
SMILESCNC(=O)c1ccc(CC[C@H](C)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(22-16(2)18-7-5-4-6-8-18)9-10-17-11-13-19(14-12-17)20(23)21-3/h4-8,11-16,22H,9-10H2,1-3H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyUZIAVHIKBPNQKR-HOTGVXAUSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[3-[[(1S)-1-phenylethyl]amino]butyl]benzoate
CID 22823575
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-methyl-4-[[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111172144
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide?
The IUPAC name of N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide (CID 56997578) is N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide?
The canonical SMILES for N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide is CNC(=O)c1ccc(CC[C@H](C)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide?
The InChIKey is UZIAVHIKBPNQKR-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(22-16(2)18-7-5-4-6-8-18)9-10-17-11-13-19(14-12-17)20(23)21-3/h4-8,11-16,22H,9-10H2,1-3H3,(H,21,23)/t15-,16-/m0/s1.
What are the key properties of N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide?
N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide has a molecular weight of 310.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide is sourced from PubChem (CID 56997578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).