(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide

C22H29N3O2 — CID 119717943

IUPAC(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-25(19-8-6-5-7-9-19)21(26)15-17-10-12-18(13-11-17)24-22(27)20(23)14-16(2)3/h5-13,16,20H,4,14-15,23H2,1-3H3,(H,24,27)/t20-/m0/s1
InChIKeyBIQOVLBXSCJRBZ-FQEVSTJZSA-N
MW367.49 g/mol
LogP3.59
Rot. Bonds8

About (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide

(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide (PubChem CID 119717943) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
PubChem CID119717943
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-25(19-8-6-5-7-9-19)21(26)15-17-10-12-18(13-11-17)24-22(27)20(23)14-16(2)3/h5-13,16,20H,4,14-15,23H2,1-3H3,(H,24,27)/t20-/m0/s1
InChIKeyBIQOVLBXSCJRBZ-FQEVSTJZSA-N
XLogP3.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
CID 119739628
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
CID 112838540
4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120923508
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
CID 163140404
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide (CID 119717943) is (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide is CCN(C(=O)Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide?
The InChIKey is BIQOVLBXSCJRBZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-25(19-8-6-5-7-9-19)21(26)15-17-10-12-18(13-11-17)24-22(27)20(23)14-16(2)3/h5-13,16,20H,4,14-15,23H2,1-3H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide has a molecular weight of 367.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 119717943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).