[2-(carbamoylamino)-3-phenylpropyl] carbamate

C11H15N3O3 — CID 155892632

IUPAC[2-(carbamoylamino)-3-phenylpropyl] carbamate
SMILESNC(=O)NC(COC(N)=O)Cc1ccccc1
InChIInChI=1S/C11H15N3O3/c12-10(15)14-9(7-17-11(13)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H3,12,14,15)
InChIKeyKGTYYCWZHBCUHU-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds5

About [2-(carbamoylamino)-3-phenylpropyl] carbamate

[2-(carbamoylamino)-3-phenylpropyl] carbamate (PubChem CID 155892632) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [2-(carbamoylamino)-3-phenylpropyl] carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-3-phenylpropyl] carbamate
PubChem CID155892632
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[2-(carbamoylamino)-3-phenylpropyl] carbamate
SMILESNC(=O)NC(COC(N)=O)Cc1ccccc1
InChIInChI=1S/C11H15N3O3/c12-10(15)14-9(7-17-11(13)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H3,12,14,15)
InChIKeyKGTYYCWZHBCUHU-UHFFFAOYSA-N
XLogP0.36
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride
CID 70188455
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
1,2-diphenylethylurea
CID 2853470
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-3-phenylpropyl] carbamate?
The IUPAC name of [2-(carbamoylamino)-3-phenylpropyl] carbamate (CID 155892632) is [2-(carbamoylamino)-3-phenylpropyl] carbamate.
What is the SMILES notation for [2-(carbamoylamino)-3-phenylpropyl] carbamate?
The canonical SMILES for [2-(carbamoylamino)-3-phenylpropyl] carbamate is NC(=O)NC(COC(N)=O)Cc1ccccc1.
What is the InChIKey of [2-(carbamoylamino)-3-phenylpropyl] carbamate?
The InChIKey is KGTYYCWZHBCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-10(15)14-9(7-17-11(13)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H3,12,14,15).
What are the key properties of [2-(carbamoylamino)-3-phenylpropyl] carbamate?
[2-(carbamoylamino)-3-phenylpropyl] carbamate has a molecular weight of 237.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-3-phenylpropyl] carbamate is sourced from PubChem (CID 155892632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).