N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

C22H29NO4 — CID 30803663

IUPACN-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H29NO4/c1-16(10-11-17-8-6-5-7-9-17)23-21(24)13-12-18-14-19(25-2)22(27-4)20(15-18)26-3/h5-9,14-16H,10-13H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKeyFDCUMEDXMKZHFW-INIZCTEOSA-N
MW371.48 g/mol
LogP3.78
Rot. Bonds10

About N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 30803663) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID30803663
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H29NO4/c1-16(10-11-17-8-6-5-7-9-17)23-21(24)13-12-18-14-19(25-2)22(27-4)20(15-18)26-3/h5-9,14-16H,10-13H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKeyFDCUMEDXMKZHFW-INIZCTEOSA-N
XLogP3.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706498
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 30803663) is N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is FDCUMEDXMKZHFW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(10-11-17-8-6-5-7-9-17)23-21(24)13-12-18-14-19(25-2)22(27-4)20(15-18)26-3/h5-9,14-16H,10-13H2,1-4H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 30803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).