N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide

C20H21N3O2 — CID 51492412

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
SMILESNC(=O)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N3O2/c21-20(25)19(14-7-2-1-3-8-14)23-18(24)12-6-9-15-13-22-17-11-5-4-10-16(15)17/h1-5,7-8,10-11,13,19,22H,6,9,12H2,(H2,21,25)(H,23,24)/t19-/m1/s1
InChIKeyXTNGCRJKGLEERR-LJQANCHMSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds7

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 51492412) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID51492412
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
SMILESNC(=O)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N3O2/c21-20(25)19(14-7-2-1-3-8-14)23-18(24)12-6-9-15-13-22-17-11-5-4-10-16(15)17/h1-5,7-8,10-11,13,19,22H,6,9,12H2,(H2,21,25)(H,23,24)/t19-/m1/s1
InChIKeyXTNGCRJKGLEERR-LJQANCHMSA-N
XLogP2.83
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-N-[(1S)-2-methylsulfonyl-1-phenylethyl]butanamide
CID 97000968
2-[4-(1H-indol-3-yl)butanoylamino]-3-phenylpropanoic acid
CID 6917052
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide (CID 51492412) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide is NC(=O)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is XTNGCRJKGLEERR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-20(25)19(14-7-2-1-3-8-14)23-18(24)12-6-9-15-13-22-17-11-5-4-10-16(15)17/h1-5,7-8,10-11,13,19,22H,6,9,12H2,(H2,21,25)(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 335.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 51492412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).