4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide

C16H26N2O2 — CID 120560690

IUPAC4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
SMILESCCCOCc1ccccc1CNC(=O)CCC(C)N
InChIInChI=1S/C16H26N2O2/c1-3-10-20-12-15-7-5-4-6-14(15)11-18-16(19)9-8-13(2)17/h4-7,13H,3,8-12,17H2,1-2H3,(H,18,19)
InChIKeyBPKNCCNUSPPXJD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds9

About 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide

4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide (PubChem CID 120560690) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
PubChem CID120560690
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
SMILESCCCOCc1ccccc1CNC(=O)CCC(C)N
InChIInChI=1S/C16H26N2O2/c1-3-10-20-12-15-7-5-4-6-14(15)11-18-16(19)9-8-13(2)17/h4-7,13H,3,8-12,17H2,1-2H3,(H,18,19)
InChIKeyBPKNCCNUSPPXJD-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
CID 120609341
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609340
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide (CID 120560690) is 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide is CCCOCc1ccccc1CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide?
The InChIKey is BPKNCCNUSPPXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-10-20-12-15-7-5-4-6-14(15)11-18-16(19)9-8-13(2)17/h4-7,13H,3,8-12,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide?
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 120560690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).