1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine

C16H29N3O — CID 70475064

IUPAC1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine
SMILESCCCNC(C)(C)C.CCNC(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O.C7H17N/c1-2-10-9(12)11-8-6-4-3-5-7-8;1-5-6-8-7(2,3)4/h3-7H,2H2,1H3,(H2,10,11,12);8H,5-6H2,1-4H3
InChIKeyDXUPSEULWZDQRH-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.61
Rot. Bonds4

About 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine

1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine (PubChem CID 70475064) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine
PubChem CID70475064
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine
SMILESCCCNC(C)(C)C.CCNC(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O.C7H17N/c1-2-10-9(12)11-8-6-4-3-5-7-8;1-5-6-8-7(2,3)4/h3-7H,2H2,1H3,(H2,10,11,12);8H,5-6H2,1-4H3
InChIKeyDXUPSEULWZDQRH-UHFFFAOYSA-N
XLogP3.61
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-phenylurea;N-ethylpropan-1-amine
CID 70474820
1-dodecyl-3-phenylurea
CID 3697946
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
CID 10659432
N-[2-(ethylamino)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119509598
N'-phenyl-N-propyloxamide
CID 2291438
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
CID 173411777
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-(4,4-dimethylpent-2-ynyl)-3-phenylurea
CID 58790058
1-anilino-3-ethylurea
CID 67472651
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine?
The IUPAC name of 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine (CID 70475064) is 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine?
The canonical SMILES for 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine is CCCNC(C)(C)C.CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine?
The InChIKey is DXUPSEULWZDQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C7H17N/c1-2-10-9(12)11-8-6-4-3-5-7-8;1-5-6-8-7(2,3)4/h3-7H,2H2,1H3,(H2,10,11,12);8H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine?
1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine is sourced from PubChem (CID 70475064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).