5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide

C16H26N2O2 — CID 82012601

IUPAC5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
SMILESCCOc1ccc(CN(C)C(=O)CCC(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-8-6-14(7-9-15)12-18(3)16(19)10-5-13(2)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3
InChIKeyWZSKGWJMNNZPMA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds8

About 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide

5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide (PubChem CID 82012601) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
PubChem CID82012601
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
SMILESCCOc1ccc(CN(C)C(=O)CCC(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-8-6-14(7-9-15)12-18(3)16(19)10-5-13(2)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3
InChIKeyWZSKGWJMNNZPMA-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide (CID 82012601) is 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide is CCOc1ccc(CN(C)C(=O)CCC(C)CN)cc1.
What is the InChIKey of 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide?
The InChIKey is WZSKGWJMNNZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-8-6-14(7-9-15)12-18(3)16(19)10-5-13(2)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3.
What are the key properties of 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide?
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 82012601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).