2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide

C16H29N3O2 — CID 71938767

IUPAC2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)CCNC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-18(2)15(20)10-11-17-16(21)19-12-6-9-14(19)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,17,21)
InChIKeyYQZFVLAQLVRVGL-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.22
Rot. Bonds4

About 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide

2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide (PubChem CID 71938767) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
PubChem CID71938767
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)CCNC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-18(2)15(20)10-11-17-16(21)19-12-6-9-14(19)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,17,21)
InChIKeyYQZFVLAQLVRVGL-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107841410
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
CID 43404889
5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686548
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
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N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
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CID 102727447
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide (CID 71938767) is 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide is CN(C)C(=O)CCNC(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide?
The InChIKey is YQZFVLAQLVRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-18(2)15(20)10-11-17-16(21)19-12-6-9-14(19)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,17,21).
What are the key properties of 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide?
2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71938767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).