3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide

C17H28N2O — CID 62838320

IUPAC3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-18-14(4)11-17(20)19(5)12-15-7-9-16(10-8-15)13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3
InChIKeyWHSQUWHHFLXLMG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds7

About 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide

3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide (PubChem CID 62838320) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
PubChem CID62838320
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-18-14(4)11-17(20)19(5)12-15-7-9-16(10-8-15)13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3
InChIKeyWHSQUWHHFLXLMG-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
N-[(3,4-dimethoxyphenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837059
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837784
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]butanoic acid
CID 117042175

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide (CID 62838320) is 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide is CCNC(C)CC(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide?
The InChIKey is WHSQUWHHFLXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-18-14(4)11-17(20)19(5)12-15-7-9-16(10-8-15)13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3.
What are the key properties of 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide?
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide has a molecular weight of 276.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide is sourced from PubChem (CID 62838320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).