1-(1-aminopropan-2-yl)-3-phenylurea

C10H15N3O — CID 23364218

IUPAC1-(1-aminopropan-2-yl)-3-phenylurea
SMILESCC(CN)NC(=O)Nc1ccccc1
InChIInChI=1S/C10H15N3O/c1-8(7-11)12-10(14)13-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H2,12,13,14)
InChIKeyDBMZZPZWRGTYIH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-3-phenylurea

1-(1-aminopropan-2-yl)-3-phenylurea (PubChem CID 23364218) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-phenylurea
PubChem CID23364218
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(1-aminopropan-2-yl)-3-phenylurea
SMILESCC(CN)NC(=O)Nc1ccccc1
InChIInChI=1S/C10H15N3O/c1-8(7-11)12-10(14)13-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H2,12,13,14)
InChIKeyDBMZZPZWRGTYIH-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
CID 104877168
1-pent-4-yn-2-yl-3-phenylurea
CID 115661055
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-phenylurea?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-phenylurea (CID 23364218) is 1-(1-aminopropan-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-phenylurea?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-phenylurea is CC(CN)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-phenylurea?
The InChIKey is DBMZZPZWRGTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(7-11)12-10(14)13-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-(1-aminopropan-2-yl)-3-phenylurea?
1-(1-aminopropan-2-yl)-3-phenylurea has a molecular weight of 193.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-phenylurea is sourced from PubChem (CID 23364218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).