2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide

C15H25N3O2 — CID 81088409

IUPAC2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-18(2)13-8-6-12(7-9-13)11-17-15(19)14(16)5-4-10-20-3/h6-9,14H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyBDFBPPOYUMFKHM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.12
Rot. Bonds8

About 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide (PubChem CID 81088409) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
PubChem CID81088409
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-18(2)13-8-6-12(7-9-13)11-17-15(19)14(16)5-4-10-20-3/h6-9,14H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyBDFBPPOYUMFKHM-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide
CID 75444272
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide (CID 81088409) is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide?
The InChIKey is BDFBPPOYUMFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(2)13-8-6-12(7-9-13)11-17-15(19)14(16)5-4-10-20-3/h6-9,14H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide?
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide has a molecular weight of 279.38 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide is sourced from PubChem (CID 81088409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).