(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide

C19H24N2O2 — CID 95588807

IUPAC(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide
SMILESCOc1ccc(CC[C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(8-9-15-10-12-17(23-2)13-11-15)21-18(19(20)22)16-6-4-3-5-7-16/h3-7,10-14,18,21H,8-9H2,1-2H3,(H2,20,22)/t14-,18+/m0/s1
InChIKeyVAGVOEXCYSLHQK-KBXCAEBGSA-N
MW312.41 g/mol
LogP2.83
Rot. Bonds8

About (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide

(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide (PubChem CID 95588807) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide
PubChem CID95588807
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide
SMILESCOc1ccc(CC[C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(8-9-15-10-12-17(23-2)13-11-15)21-18(19(20)22)16-6-4-3-5-7-16/h3-7,10-14,18,21H,8-9H2,1-2H3,(H2,20,22)/t14-,18+/m0/s1
InChIKeyVAGVOEXCYSLHQK-KBXCAEBGSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide (CID 95588807) is (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide is COc1ccc(CC[C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide?
The InChIKey is VAGVOEXCYSLHQK-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(8-9-15-10-12-17(23-2)13-11-15)21-18(19(20)22)16-6-4-3-5-7-16/h3-7,10-14,18,21H,8-9H2,1-2H3,(H2,20,22)/t14-,18+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide?
(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide has a molecular weight of 312.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 95588807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).