N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide

C13H25N3O — CID 143248684

IUPACN-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
SMILESO=C(CNC1CCNC1)NCC1CCCCC1
InChIInChI=1S/C13H25N3O/c17-13(10-15-12-6-7-14-9-12)16-8-11-4-2-1-3-5-11/h11-12,14-15H,1-10H2,(H,16,17)
InChIKeyLMNSEELIHFEOTG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide

N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide (PubChem CID 143248684) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
PubChem CID143248684
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
SMILESO=C(CNC1CCNC1)NCC1CCCCC1
InChIInChI=1S/C13H25N3O/c17-13(10-15-12-6-7-14-9-12)16-8-11-4-2-1-3-5-11/h11-12,14-15H,1-10H2,(H,16,17)
InChIKeyLMNSEELIHFEOTG-UHFFFAOYSA-N
XLogP0.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
2-(cyclopentylamino)-N-(oxan-4-ylmethyl)acetamide
CID 63707149
2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 99854012
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
CID 78908843
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
CID 113394731
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide (CID 143248684) is N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide is O=C(CNC1CCNC1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
The InChIKey is LMNSEELIHFEOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-13(10-15-12-6-7-14-9-12)16-8-11-4-2-1-3-5-11/h11-12,14-15H,1-10H2,(H,16,17).
What are the key properties of N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide is sourced from PubChem (CID 143248684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).