3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide

C15H25ClN4O2 — CID 71971270

IUPAC3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NC(=O)N(C)Cc1cc(Cl)cn1C
InChIInChI=1S/C15H25ClN4O2/c1-10(2)17-14(21)6-11(3)18-15(22)20(5)9-13-7-12(16)8-19(13)4/h7-8,10-11H,6,9H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyAYVOOQWNPJXPSQ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.12
Rot. Bonds6

About 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide

3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide (PubChem CID 71971270) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide
PubChem CID71971270
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NC(=O)N(C)Cc1cc(Cl)cn1C
InChIInChI=1S/C15H25ClN4O2/c1-10(2)17-14(21)6-11(3)18-15(22)20(5)9-13-7-12(16)8-19(13)4/h7-8,10-11H,6,9H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyAYVOOQWNPJXPSQ-UHFFFAOYSA-N
XLogP2.12
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide (CID 71971270) is 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)NC(=O)N(C)Cc1cc(Cl)cn1C.
What is the InChIKey of 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is AYVOOQWNPJXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2/c1-10(2)17-14(21)6-11(3)18-15(22)20(5)9-13-7-12(16)8-19(13)4/h7-8,10-11H,6,9H2,1-5H3,(H,17,21)(H,18,22).
What are the key properties of 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide?
3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 328.84 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 71971270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).