2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide

C14H21N3O2 — CID 134003780

IUPAC2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NCC(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-15-13(18)9-16-14(19)17-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyMIQKRUPDVOYWQN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds5

About 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide

2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 134003780) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID134003780
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NCC(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-15-13(18)9-16-14(19)17-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyMIQKRUPDVOYWQN-UHFFFAOYSA-N
XLogP1.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8588228
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
[(4-methylphenyl)carbamoylamino]methylphosphonic acid
CID 159634843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide (CID 134003780) is 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide is Cc1ccc(NC(=O)NCC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is MIQKRUPDVOYWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)8-15-13(18)9-16-14(19)17-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 134003780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).