N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

C16H26N2O2 — CID 60936656

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCCOc1ccc(CN(C)C(=O)CCNC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-20-15-8-6-14(7-9-15)12-18(4)16(19)10-11-17-13(2)3/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyRNDRNWNKPDVTSU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (PubChem CID 60936656) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
PubChem CID60936656
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCCOc1ccc(CN(C)C(=O)CCNC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-20-15-8-6-14(7-9-15)12-18(4)16(19)10-11-17-13(2)3/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyRNDRNWNKPDVTSU-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (CID 60936656) is N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is CCOc1ccc(CN(C)C(=O)CCNC(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The InChIKey is RNDRNWNKPDVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-15-8-6-14(7-9-15)12-18(4)16(19)10-11-17-13(2)3/h6-9,13,17H,5,10-12H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60936656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).