(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide

C14H22N2O — CID 28841175

IUPAC(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)9-15-14(17)12(4)16-13-7-5-11(3)6-8-13/h5-8,10,12,16H,9H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeySLDUTBQBFKWXGH-LBPRGKRZSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds5

About (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide

(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 28841175) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
PubChem CID28841175
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)9-15-14(17)12(4)16-13-7-5-11(3)6-8-13/h5-8,10,12,16H,9H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeySLDUTBQBFKWXGH-LBPRGKRZSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
N-(2-methylpropyl)-2-(4-pentylanilino)propanamide
CID 112798556
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
2-amino-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 104500881
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide (CID 28841175) is (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide is Cc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1.
What is the InChIKey of (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is SLDUTBQBFKWXGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)9-15-14(17)12(4)16-13-7-5-11(3)6-8-13/h5-8,10,12,16H,9H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide?
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 28841175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).