2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide

C15H23ClN2O — CID 78972710

IUPAC2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)CNC(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-11(8-12-6-5-7-13(16)9-12)18-14(19)10-17-15(2,3)4/h5-7,9,11,17H,8,10H2,1-4H3,(H,18,19)
InChIKeyWDVZHWMERLNQOZ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.78
Rot. Bonds5

About 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide

2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide (PubChem CID 78972710) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
PubChem CID78972710
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)CNC(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-11(8-12-6-5-7-13(16)9-12)18-14(19)10-17-15(2,3)4/h5-7,9,11,17H,8,10H2,1-4H3,(H,18,19)
InChIKeyWDVZHWMERLNQOZ-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 124838795
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
CID 81015548
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950189
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950190
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide (CID 78972710) is 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide is CC(Cc1cccc(Cl)c1)NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide?
The InChIKey is WDVZHWMERLNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(8-12-6-5-7-13(16)9-12)18-14(19)10-17-15(2,3)4/h5-7,9,11,17H,8,10H2,1-4H3,(H,18,19).
What are the key properties of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide?
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide has a molecular weight of 282.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 78972710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).