N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide

C17H28N4O2 — CID 119598761

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)C(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H28N4O2/c1-12(2)10-17(4,11-18)21-15(22)13(3)19-16(23)20-14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3,(H,21,22)(H2,19,20,23)
InChIKeyHUANGMCJZZMZPE-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.08
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 119598761) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
PubChem CID119598761
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)C(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H28N4O2/c1-12(2)10-17(4,11-18)21-15(22)13(3)19-16(23)20-14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3,(H,21,22)(H2,19,20,23)
InChIKeyHUANGMCJZZMZPE-UHFFFAOYSA-N
XLogP2.08
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119599349
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768
1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea
CID 115309853
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide (CID 119598761) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide is CC(C)CC(C)(CN)NC(=O)C(C)NC(=O)Nc1ccccc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is HUANGMCJZZMZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)10-17(4,11-18)21-15(22)13(3)19-16(23)20-14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 320.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 119598761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).