N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

C15H21N3O3 — CID 30886257

IUPACN-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](CO)NC(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-10(9-19)17-15(21)16-8-11-2-6-13(7-3-11)18-14(20)12-4-5-12/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3,(H,18,20)(H2,16,17,21)/t10-/m0/s1
InChIKeyDELQTTICQUWWOC-JTQLQIEISA-N
MW291.35 g/mol
LogP1.22
Rot. Bonds6

About N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 30886257) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID30886257
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](CO)NC(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-10(9-19)17-15(21)16-8-11-2-6-13(7-3-11)18-14(20)12-4-5-12/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3,(H,18,20)(H2,16,17,21)/t10-/m0/s1
InChIKeyDELQTTICQUWWOC-JTQLQIEISA-N
XLogP1.22
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 42927190
N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 79023059
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[1-[[4-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 24682816
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
CID 110006449

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 30886257) is N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is C[C@@H](CO)NC(=O)NCc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DELQTTICQUWWOC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(9-19)17-15(21)16-8-11-2-6-13(7-3-11)18-14(20)12-4-5-12/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3,(H,18,20)(H2,16,17,21)/t10-/m0/s1.
What are the key properties of N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 30886257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).