N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide

C13H24N2O2 — CID 113394731

IUPACN-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
SMILESO=C(CNC1CCCCCC1O)NCC1CC1
InChIInChI=1S/C13H24N2O2/c16-12-5-3-1-2-4-11(12)14-9-13(17)15-8-10-6-7-10/h10-12,14,16H,1-9H2,(H,15,17)
InChIKeyJQFGCZHRRTUXOZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.80
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide

N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide (PubChem CID 113394731) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
PubChem CID113394731
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
SMILESO=C(CNC1CCCCCC1O)NCC1CC1
InChIInChI=1S/C13H24N2O2/c16-12-5-3-1-2-4-11(12)14-9-13(17)15-8-10-6-7-10/h10-12,14,16H,1-9H2,(H,15,17)
InChIKeyJQFGCZHRRTUXOZ-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]acetamide
CID 93346249
2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid
CID 18528605
2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)amino]acetamide
CID 63277675
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
CID 62359661
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide (CID 113394731) is N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide is O=C(CNC1CCCCCC1O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide?
The InChIKey is JQFGCZHRRTUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-12-5-3-1-2-4-11(12)14-9-13(17)15-8-10-6-7-10/h10-12,14,16H,1-9H2,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide has a molecular weight of 240.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide is sourced from PubChem (CID 113394731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).