2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide

C19H31N3O2 — CID 18142135

IUPAC2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)C(C)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-13(2)11-20-19(24)21-18(23)15(5)22(6)12-16-7-9-17(10-8-16)14(3)4/h7-10,13-15H,11-12H2,1-6H3,(H2,20,21,23,24)
InChIKeyBKDDCAJWAIZYRA-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.11
Rot. Bonds7

About 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide

2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 18142135) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID18142135
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)C(C)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-13(2)11-20-19(24)21-18(23)15(5)22(6)12-16-7-9-17(10-8-16)14(3)4/h7-10,13-15H,11-12H2,1-6H3,(H2,20,21,23,24)
InChIKeyBKDDCAJWAIZYRA-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
4-[[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 60978207
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 26005700
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide (CID 18142135) is 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide is CC(C)CNC(=O)NC(=O)C(C)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is BKDDCAJWAIZYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)11-20-19(24)21-18(23)15(5)22(6)12-16-7-9-17(10-8-16)14(3)4/h7-10,13-15H,11-12H2,1-6H3,(H2,20,21,23,24).
What are the key properties of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide?
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 18142135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).