N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide

C15H29N3O — CID 23139896

IUPACN-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
SMILESCC(C)N(C(C)C)C1CN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-11(2)18(12(3)4)14-9-17(10-14)15(19)16-13-7-5-6-8-13/h11-14H,5-10H2,1-4H3,(H,16,19)
InChIKeyFTCITXQNUMYKKT-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.44
Rot. Bonds4

About N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide

N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide (PubChem CID 23139896) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
PubChem CID23139896
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
SMILESCC(C)N(C(C)C)C1CN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-11(2)18(12(3)4)14-9-17(10-14)15(19)16-13-7-5-6-8-13/h11-14H,5-10H2,1-4H3,(H,16,19)
InChIKeyFTCITXQNUMYKKT-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N'-cyclopentylurea
CID 4150224
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
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CID 17180342
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
1,1-diethyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 97786807
N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
CID 126768727
3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea
CID 90680029
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115613517
N-cyclopentyl-3-fluoroazetidine-1-carboxamide
CID 126986844
N-(3-fluorocyclopentyl)azetidine-1-carboxamide
CID 130650635
N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide
CID 154744073

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide (CID 23139896) is N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide is CC(C)N(C(C)C)C1CN(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The InChIKey is FTCITXQNUMYKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)18(12(3)4)14-9-17(10-14)15(19)16-13-7-5-6-8-13/h11-14H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 23139896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).