4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide

C16H27N3O — CID 120564241

IUPAC4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
SMILESCCN(CCNC(=O)CCC(C)N)c1cccc(C)c1
InChIInChI=1S/C16H27N3O/c1-4-19(15-7-5-6-13(2)12-15)11-10-18-16(20)9-8-14(3)17/h5-7,12,14H,4,8-11,17H2,1-3H3,(H,18,20)
InChIKeyREOVITPQWNGTFE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds8

About 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide

4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide (PubChem CID 120564241) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
PubChem CID120564241
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
SMILESCCN(CCNC(=O)CCC(C)N)c1cccc(C)c1
InChIInChI=1S/C16H27N3O/c1-4-19(15-7-5-6-13(2)12-15)11-10-18-16(20)9-8-14(3)17/h5-7,12,14H,4,8-11,17H2,1-3H3,(H,18,20)
InChIKeyREOVITPQWNGTFE-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide
CID 143046276
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
CID 25353106
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide (CID 120564241) is 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide is CCN(CCNC(=O)CCC(C)N)c1cccc(C)c1.
What is the InChIKey of 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide?
The InChIKey is REOVITPQWNGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(15-7-5-6-13(2)12-15)11-10-18-16(20)9-8-14(3)17/h5-7,12,14H,4,8-11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide?
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide has a molecular weight of 277.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide is sourced from PubChem (CID 120564241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).