N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide

C14H28N2O2 — CID 64913889

IUPACN-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCC1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-3-4-9-15-14(18)11(2)16-10-12-7-5-6-8-13(12)17/h11-13,16-17H,3-10H2,1-2H3,(H,15,18)
InChIKeyUQDWOJBOVTZBQY-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds7

About N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide

N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide (PubChem CID 64913889) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
PubChem CID64913889
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCC1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-3-4-9-15-14(18)11(2)16-10-12-7-5-6-8-13(12)17/h11-13,16-17H,3-10H2,1-2H3,(H,15,18)
InChIKeyUQDWOJBOVTZBQY-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
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

2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
CID 64927417
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-butyl-2-(2-cyclopentyloxyethylamino)propanamide
CID 55261648
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide?
The IUPAC name of N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide (CID 64913889) is N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide?
The canonical SMILES for N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide is CCCCNC(=O)C(C)NCC1CCCCC1O.
What is the InChIKey of N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide?
The InChIKey is UQDWOJBOVTZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-9-15-14(18)11(2)16-10-12-7-5-6-8-13(12)17/h11-13,16-17H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide?
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 7 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)methylamino]propanamide is sourced from PubChem (CID 64913889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).