N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide

C15H25ClN4O2 — CID 154750190

IUPACN-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)N(C)Cc1cc(Cl)cn1C
InChIInChI=1S/C15H25ClN4O2/c1-6-10(2)17-14(21)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)
InChIKeyRJTCAJDNTPEEEA-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.12
Rot. Bonds6

About N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide

N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide (PubChem CID 154750190) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide
PubChem CID154750190
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC NameN-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)N(C)Cc1cc(Cl)cn1C
InChIInChI=1S/C15H25ClN4O2/c1-6-10(2)17-14(21)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)
InChIKeyRJTCAJDNTPEEEA-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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Related Compounds

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea
CID 97223585
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97075370
4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide
CID 71920493
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]propanamide
CID 100566703
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]butanamide
CID 100708064
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
4-[(4-chloro-1-methylpyrrol-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 154787107
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61415188
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
(2S)-N-[(2R)-butan-2-yl]-2-[[4-(dimethylamino)-3,5-difluorophenyl]carbamoylamino]propanamide
CID 95239541

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide (CID 154750190) is N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide is CCC(C)NC(=O)C(C)NC(=O)N(C)Cc1cc(Cl)cn1C.
What is the InChIKey of N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide?
The InChIKey is RJTCAJDNTPEEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2/c1-6-10(2)17-14(21)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 N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide?
N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide 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 N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide is sourced from PubChem (CID 154750190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).