4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

C11H17N3O2 — CID 134450659

IUPAC4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)C)n(C)c1
InChIInChI=1S/C11H17N3O2/c1-7(2)12-11(16)10-5-9(6-14(10)4)13-8(3)15/h5-7H,1-4H3,(H,12,16)(H,13,15)
InChIKeyIUXPZAFUUORAKM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.12
Rot. Bonds3

About 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 134450659) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID134450659
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)C)n(C)c1
InChIInChI=1S/C11H17N3O2/c1-7(2)12-11(16)10-5-9(6-14(10)4)13-8(3)15/h5-7H,1-4H3,(H,12,16)(H,13,15)
InChIKeyIUXPZAFUUORAKM-UHFFFAOYSA-N
XLogP1.12
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 168679994
N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
CID 23394637
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 59656712
methyl (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47337732
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone
CID 142228577
4-acetamido-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 3009871
tert-butyl 2-[[4-[[4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoate
CID 14487209
N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide
CID 163755830
[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 2-[(4-acetamido-1-methylpyrrole-2-carbonyl)amino]acetate
CID 20614383

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (CID 134450659) is 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)C)n(C)c1.
What is the InChIKey of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is IUXPZAFUUORAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)12-11(16)10-5-9(6-14(10)4)13-8(3)15/h5-7H,1-4H3,(H,12,16)(H,13,15).
What are the key properties of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 134450659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).