N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide

C21H35N3O2 — CID 3672154

IUPACN-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)C1CCC1
InChIInChI=1S/C21H35N3O2/c1-6-17(4)24(21(26)18-9-7-10-18)15-20(25)23(13-16(2)3)14-19-11-8-12-22(19)5/h8,11-12,16-18H,6-7,9-10,13-15H2,1-5H3
InChIKeyQUATUVFYVUVMAC-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.44
Rot. Bonds9

About N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide

N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 3672154) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID3672154
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)C1CCC1
InChIInChI=1S/C21H35N3O2/c1-6-17(4)24(21(26)18-9-7-10-18)15-20(25)23(13-16(2)3)14-19-11-8-12-22(19)5/h8,11-12,16-18H,6-7,9-10,13-15H2,1-5H3
InChIKeyQUATUVFYVUVMAC-UHFFFAOYSA-N
XLogP3.44
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3957077
N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 5041321
N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 7217205
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide
CID 42767871
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 7351356
2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3374435
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 42767720
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3917937
N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 42767731
N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 7225275
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 42767957
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide (CID 3672154) is N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide is CCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)C1CCC1.
What is the InChIKey of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is QUATUVFYVUVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-6-17(4)24(21(26)18-9-7-10-18)15-20(25)23(13-16(2)3)14-19-11-8-12-22(19)5/h8,11-12,16-18H,6-7,9-10,13-15H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 361.53 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 3672154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).