N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide

C17H24N4O3 — CID 42927190

IUPACN-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(NC(N)=O)C(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H24N4O3/c1-10(2)14(21-17(18)24)16(23)19-9-11-3-7-13(8-4-11)20-15(22)12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3,(H,19,23)(H,20,22)(H3,18,21,24)
InChIKeyFJCDKQJRAYCVBW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.34
Rot. Bonds7

About N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 42927190) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID42927190
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(NC(N)=O)C(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H24N4O3/c1-10(2)14(21-17(18)24)16(23)19-9-11-3-7-13(8-4-11)20-15(22)12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3,(H,19,23)(H,20,22)(H3,18,21,24)
InChIKeyFJCDKQJRAYCVBW-UHFFFAOYSA-N
XLogP1.34
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

benzyl N-[1-[[4-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 42927187
N-[1-[[4-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 24682816
N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 79023059
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 18137263
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24601515

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 42927190) is N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide is CC(C)C(NC(N)=O)C(=O)NCc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FJCDKQJRAYCVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10(2)14(21-17(18)24)16(23)19-9-11-3-7-13(8-4-11)20-15(22)12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3,(H,19,23)(H,20,22)(H3,18,21,24).
What are the key properties of N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42927190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).