2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide

C14H23N3O2 — CID 77144700

IUPAC2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide
SMILESCC(C)C(N)C(=O)N(CC(=O)c1ccc[nH]1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-9(2)13(15)14(19)17(10(3)4)8-12(18)11-6-5-7-16-11/h5-7,9-10,13,16H,8,15H2,1-4H3
InChIKeyLTGODKFJJRWQNC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.42
Rot. Bonds6

About 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide

2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide (PubChem CID 77144700) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide
PubChem CID77144700
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide
SMILESCC(C)C(N)C(=O)N(CC(=O)c1ccc[nH]1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-9(2)13(15)14(19)17(10(3)4)8-12(18)11-6-5-7-16-11/h5-7,9-10,13,16H,8,15H2,1-4H3
InChIKeyLTGODKFJJRWQNC-UHFFFAOYSA-N
XLogP1.42
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43795802
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 115611827
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
CID 66568264
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144410
(2S)-2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 66568262
3-amino-4-oxo-4-(1H-pyrrol-2-yl)butanoic acid
CID 53424173

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide (CID 77144700) is 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide is CC(C)C(N)C(=O)N(CC(=O)c1ccc[nH]1)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide?
The InChIKey is LTGODKFJJRWQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)13(15)14(19)17(10(3)4)8-12(18)11-6-5-7-16-11/h5-7,9-10,13,16H,8,15H2,1-4H3.
What are the key properties of 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide?
2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 77144700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).