N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide

C17H28N2O2 — CID 60956727

IUPACN-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-14(4)19-17(20)10-11-18-12-15-6-8-16(9-7-15)21-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyJMXRRGMHKUTNRQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds9

About N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide

N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide (PubChem CID 60956727) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
PubChem CID60956727
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-14(4)19-17(20)10-11-18-12-15-6-8-16(9-7-15)21-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyJMXRRGMHKUTNRQ-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]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

N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N-butan-2-yl-3-[[4-(cyanomethoxy)phenyl]methylamino]propanamide
CID 60957207
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
3-[(3-bromo-4-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 83236196
N-butan-2-yl-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanamide
CID 60956610
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
CID 78894946
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide (CID 60956727) is N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The InChIKey is JMXRRGMHKUTNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-14(4)19-17(20)10-11-18-12-15-6-8-16(9-7-15)21-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide is sourced from PubChem (CID 60956727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).