N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide

C16H26N2O2 — CID 61021836

IUPACN-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(CC)c1ccccc1O
InChIInChI=1S/C16H26N2O2/c1-4-12(3)18-16(20)10-11-17-14(5-2)13-8-6-7-9-15(13)19/h6-9,12,14,17,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyGNYPTLNBOKPVGP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.74
Rot. Bonds8

About N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide

N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide (PubChem CID 61021836) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
PubChem CID61021836
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(CC)c1ccccc1O
InChIInChI=1S/C16H26N2O2/c1-4-12(3)18-16(20)10-11-17-14(5-2)13-8-6-7-9-15(13)19/h6-9,12,14,17,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyGNYPTLNBOKPVGP-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide
CID 84592385
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide (CID 61021836) is N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide is CCC(C)NC(=O)CCNC(CC)c1ccccc1O.
What is the InChIKey of N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide?
The InChIKey is GNYPTLNBOKPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12(3)18-16(20)10-11-17-14(5-2)13-8-6-7-9-15(13)19/h6-9,12,14,17,19H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide?
N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide is sourced from PubChem (CID 61021836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).