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

C14H21ClN2O — CID 60843071

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(2)16-9-14(18)17-11(3)7-12-5-4-6-13(15)8-12/h4-6,8,10-11,16H,7,9H2,1-3H3,(H,17,18)
InChIKeyRXZFBZKSMXWYOF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds6

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

N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide (PubChem CID 60843071) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
PubChem CID60843071
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(2)16-9-14(18)17-11(3)7-12-5-4-6-13(15)8-12/h4-6,8,10-11,16H,7,9H2,1-3H3,(H,17,18)
InChIKeyRXZFBZKSMXWYOF-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
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-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
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 N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide (CID 60843071) is N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide?
The InChIKey is RXZFBZKSMXWYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)16-9-14(18)17-11(3)7-12-5-4-6-13(15)8-12/h4-6,8,10-11,16H,7,9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide?
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60843071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).