4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide

C15H25N3O2 — CID 66428224

IUPAC4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
SMILESCCNC(=O)CC(CN)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H25N3O2/c1-4-17-15(19)9-13(10-16)18(2)11-12-7-5-6-8-14(12)20-3/h5-8,13H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyUKWOPQAYMFVDPO-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.98
Rot. Bonds8

About 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide

4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide (PubChem CID 66428224) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
PubChem CID66428224
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
SMILESCCNC(=O)CC(CN)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H25N3O2/c1-4-17-15(19)9-13(10-16)18(2)11-12-7-5-6-8-14(12)20-3/h5-8,13H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyUKWOPQAYMFVDPO-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
CID 115666744
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide
CID 66431998
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide (CID 66428224) is 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide is CCNC(=O)CC(CN)N(C)Cc1ccccc1OC.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide?
The InChIKey is UKWOPQAYMFVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-17-15(19)9-13(10-16)18(2)11-12-7-5-6-8-14(12)20-3/h5-8,13H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide?
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide has a molecular weight of 279.38 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide is sourced from PubChem (CID 66428224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).