N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide

C19H31N3O2 — CID 3984272

IUPACN-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
SMILESCC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)C(C)C)C1CC1
InChIInChI=1S/C19H31N3O2/c1-14(2)11-21(12-17-7-6-10-20(17)5)18(23)13-22(16-8-9-16)19(24)15(3)4/h6-7,10,14-16H,8-9,11-13H2,1-5H3
InChIKeyNPGFHHIXFMBJHG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.66
Rot. Bonds8

About N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide

N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide (PubChem CID 3984272) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
PubChem CID3984272
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
SMILESCC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)C(C)C)C1CC1
InChIInChI=1S/C19H31N3O2/c1-14(2)11-21(12-17-7-6-10-20(17)5)18(23)13-22(16-8-9-16)19(24)15(3)4/h6-7,10,14-16H,8-9,11-13H2,1-5H3
InChIKeyNPGFHHIXFMBJHG-UHFFFAOYSA-N
XLogP2.66
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3663729
2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3603833
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42767843
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3917937
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3309264
N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42767799
2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3337711
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3672154
2-[(3-bromophenyl)carbamoyl-cyclohexylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4033490
2-[cyclohexyl-[(3,4-difluorophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4675244
2-[butylcarbamoyl(2-methylpropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4534956

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide (CID 3984272) is N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide is CC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?
The InChIKey is NPGFHHIXFMBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)11-21(12-17-7-6-10-20(17)5)18(23)13-22(16-8-9-16)19(24)15(3)4/h6-7,10,14-16H,8-9,11-13H2,1-5H3.
What are the key properties of N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?
N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 3984272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).