N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide

C12H24N2O2 — CID 62359661

IUPACN-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
SMILESCCCCNC(=O)CNC1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-2-3-8-13-12(16)9-14-10-6-4-5-7-11(10)15/h10-11,14-15H,2-9H2,1H3,(H,13,16)
InChIKeyHIHCMFMDBFNHGJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds6

About N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide

N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide (PubChem CID 62359661) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
PubChem CID62359661
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
SMILESCCCCNC(=O)CNC1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-2-3-8-13-12(16)9-14-10-6-4-5-7-11(10)15/h10-11,14-15H,2-9H2,1H3,(H,13,16)
InChIKeyHIHCMFMDBFNHGJ-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]acetamide
CID 93346249
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid
CID 18528605
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
CID 113394731
2-(nonylamino)cyclohexan-1-ol
CID 62360571
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide?
The IUPAC name of N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide (CID 62359661) is N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide?
The canonical SMILES for N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide is CCCCNC(=O)CNC1CCCCC1O.
What is the InChIKey of N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide?
The InChIKey is HIHCMFMDBFNHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-8-13-12(16)9-14-10-6-4-5-7-11(10)15/h10-11,14-15H,2-9H2,1H3,(H,13,16).
What are the key properties of N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide?
N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide is sourced from PubChem (CID 62359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).