N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide

C16H29N3O2 — CID 119808791

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(10-17-2)15(20)18-14-8-9-19(11-14)16(21)13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3,(H,18,20)
InChIKeyLMARNASSEDNEIK-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.14
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119808791) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119808791
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(10-17-2)15(20)18-14-8-9-19(11-14)16(21)13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3,(H,18,20)
InChIKeyLMARNASSEDNEIK-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea
CID 97227043
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide (CID 119808791) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is LMARNASSEDNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(10-17-2)15(20)18-14-8-9-19(11-14)16(21)13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 295.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119808791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).