N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide

C14H28N2O3 — CID 79394457

IUPACN-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
SMILESCC(C)COCC(O)CNCCCC(=O)NC1CC1
InChIInChI=1S/C14H28N2O3/c1-11(2)9-19-10-13(17)8-15-7-3-4-14(18)16-12-5-6-12/h11-13,15,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyOKPFAYCJDADNDQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.67
Rot. Bonds11

About N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide

N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide (PubChem CID 79394457) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
PubChem CID79394457
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
SMILESCC(C)COCC(O)CNCCCC(=O)NC1CC1
InChIInChI=1S/C14H28N2O3/c1-11(2)9-19-10-13(17)8-15-7-3-4-14(18)16-12-5-6-12/h11-13,15,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyOKPFAYCJDADNDQ-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
CID 79394303
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 79394060
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)amino]acetamide
CID 63929849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide (CID 79394457) is N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide is CC(C)COCC(O)CNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide?
The InChIKey is OKPFAYCJDADNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)9-19-10-13(17)8-15-7-3-4-14(18)16-12-5-6-12/h11-13,15,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide?
N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide has a molecular weight of 272.39 g/mol, XLogP of 0.67, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide is sourced from PubChem (CID 79394457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).