N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide

C15H23N3O — CID 115378318

IUPACN-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
SMILESCc1ccc(NCC(=O)NCC2CC2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-11-4-7-13(8-14(11)18(2)3)16-10-15(19)17-9-12-5-6-12/h4,7-8,12,16H,5-6,9-10H2,1-3H3,(H,17,19)
InChIKeyMUMDOVPGBVTFKH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.00
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide

N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide (PubChem CID 115378318) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
PubChem CID115378318
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
SMILESCc1ccc(NCC(=O)NCC2CC2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-11-4-7-13(8-14(11)18(2)3)16-10-15(19)17-9-12-5-6-12/h4,7-8,12,16H,5-6,9-10H2,1-3H3,(H,17,19)
InChIKeyMUMDOVPGBVTFKH-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 106437984
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
CID 75517626

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide (CID 115378318) is N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide is Cc1ccc(NCC(=O)NCC2CC2)cc1N(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide?
The InChIKey is MUMDOVPGBVTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-7-13(8-14(11)18(2)3)16-10-15(19)17-9-12-5-6-12/h4,7-8,12,16H,5-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide?
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide is sourced from PubChem (CID 115378318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).