3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide

C14H21ClN2O — CID 64684682

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)N
InChIInChI=1S/C14H21ClN2O/c1-4-17(13(18)9-14(2,3)16)10-11-6-5-7-12(15)8-11/h5-8H,4,9-10,16H2,1-3H3
InChIKeyPVUDAWVLEKIBID-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds5

About 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide

3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide (PubChem CID 64684682) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
PubChem CID64684682
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)N
InChIInChI=1S/C14H21ClN2O/c1-4-17(13(18)9-14(2,3)16)10-11-6-5-7-12(15)8-11/h5-8H,4,9-10,16H2,1-3H3
InChIKeyPVUDAWVLEKIBID-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide (CID 64684682) is 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide is CCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide?
The InChIKey is PVUDAWVLEKIBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-17(13(18)9-14(2,3)16)10-11-6-5-7-12(15)8-11/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide?
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 64684682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).