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

C18H25N3O2 — CID 811191

IUPACN-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCn1cccc1CN(C(=O)CN(C(=O)C1CC1)C1CC1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-19-10-2-3-16(19)11-20(14-6-7-14)17(22)12-21(15-8-9-15)18(23)13-4-5-13/h2-3,10,13-15H,4-9,11-12H2,1H3
InChIKeyFEROELNEVCSRTD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.92
Rot. Bonds7

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

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 811191) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID811191
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCn1cccc1CN(C(=O)CN(C(=O)C1CC1)C1CC1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-19-10-2-3-16(19)11-20(14-6-7-14)17(22)12-21(15-8-9-15)18(23)13-4-5-13/h2-3,10,13-15H,4-9,11-12H2,1H3
InChIKeyFEROELNEVCSRTD-UHFFFAOYSA-N
XLogP1.92
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
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N-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopropanecarboxamide
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N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 1200621
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42767843
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CID 4041529
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CID 5002955
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 5222345
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 3540934
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 1199064
[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 811191) is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide is Cn1cccc1CN(C(=O)CN(C(=O)C1CC1)C1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is FEROELNEVCSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-10-2-3-16(19)11-20(14-6-7-14)17(22)12-21(15-8-9-15)18(23)13-4-5-13/h2-3,10,13-15H,4-9,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 811191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).