N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide

C17H25N3O2 — CID 94692031

IUPACN-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C17H25N3O2/c1-10(2)12(4)18-17(22)20-15-9-14(8-5-11(15)3)19-16(21)13-6-7-13/h5,8-10,12-13H,6-7H2,1-4H3,(H,19,21)(H2,18,20,22)/t12-/m0/s1
InChIKeySAEGAQNITORTQQ-LBPRGKRZSA-N
MW303.41 g/mol
LogP3.51
Rot. Bonds5

About N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide

N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 94692031) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
PubChem CID94692031
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C17H25N3O2/c1-10(2)12(4)18-17(22)20-15-9-14(8-5-11(15)3)19-16(21)13-6-7-13/h5,8-10,12-13H,6-7H2,1-4H3,(H,19,21)(H2,18,20,22)/t12-/m0/s1
InChIKeySAEGAQNITORTQQ-LBPRGKRZSA-N
XLogP3.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-[3-[[(2S)-2-cyanopropyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 95975285
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
CID 119290704
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
CID 47075790
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46478274
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 47041698
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide (CID 94692031) is N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)C(C)C.
What is the InChIKey of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is SAEGAQNITORTQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10(2)12(4)18-17(22)20-15-9-14(8-5-11(15)3)19-16(21)13-6-7-13/h5,8-10,12-13H,6-7H2,1-4H3,(H,19,21)(H2,18,20,22)/t12-/m0/s1.
What are the key properties of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 94692031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).