2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride

C14H23ClN4O2 — CID 119293088

IUPAC2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-9(2)17-14(20)18-12-6-4-11(5-7-12)8-16-13(19)10(3)15;/h4-7,9-10H,8,15H2,1-3H3,(H,16,19)(H2,17,18,20);1H
InChIKeyDLMCNZKKAMRVKK-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride

2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119293088) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
PubChem CID119293088
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-9(2)17-14(20)18-12-6-4-11(5-7-12)8-16-13(19)10(3)15;/h4-7,9-10H,8,15H2,1-3H3,(H,16,19)(H2,17,18,20);1H
InChIKeyDLMCNZKKAMRVKK-UHFFFAOYSA-N
XLogP1.60
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
1-[4-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111245469
2-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119730363

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride (CID 119293088) is 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride is CC(C)NC(=O)Nc1ccc(CNC(=O)C(C)N)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is DLMCNZKKAMRVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.ClH/c1-9(2)17-14(20)18-12-6-4-11(5-7-12)8-16-13(19)10(3)15;/h4-7,9-10H,8,15H2,1-3H3,(H,16,19)(H2,17,18,20);1H.
What are the key properties of 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride?
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119293088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).