3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide

C15H27N3O2 — CID 119818654

IUPAC3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
SMILESNC(=O)CC(NC(=O)CC1CCCN1)C1CCCCC1
InChIInChI=1S/C15H27N3O2/c16-14(19)10-13(11-5-2-1-3-6-11)18-15(20)9-12-7-4-8-17-12/h11-13,17H,1-10H2,(H2,16,19)(H,18,20)
InChIKeySKEBEHOBFOVNBW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.07
Rot. Bonds6

About 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide

3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide (PubChem CID 119818654) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
PubChem CID119818654
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
SMILESNC(=O)CC(NC(=O)CC1CCCN1)C1CCCCC1
InChIInChI=1S/C15H27N3O2/c16-14(19)10-13(11-5-2-1-3-6-11)18-15(20)9-12-7-4-8-17-12/h11-13,17H,1-10H2,(H2,16,19)(H,18,20)
InChIKeySKEBEHOBFOVNBW-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61366652
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CID 96524082
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
CID 119818633
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119674142
3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
CID 119818622
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-(5-methylhexan-2-yl)-2-piperidin-2-ylacetamide
CID 63926106

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
The IUPAC name of 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide (CID 119818654) is 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide.
What is the SMILES notation for 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
The canonical SMILES for 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide is NC(=O)CC(NC(=O)CC1CCCN1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
The InChIKey is SKEBEHOBFOVNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(19)10-13(11-5-2-1-3-6-11)18-15(20)9-12-7-4-8-17-12/h11-13,17H,1-10H2,(H2,16,19)(H,18,20).
What are the key properties of 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide is sourced from PubChem (CID 119818654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).