1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea

C21H26N2O — CID 113213861

IUPAC1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-17(2)23(15-18-9-5-3-6-10-18)20(24)22-16-21(13-14-21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H,22,24)
InChIKeyODVHBUXJRJABEW-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.34
Rot. Bonds6

About 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea

1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea (PubChem CID 113213861) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea
PubChem CID113213861
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-17(2)23(15-18-9-5-3-6-10-18)20(24)22-16-21(13-14-21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H,22,24)
InChIKeyODVHBUXJRJABEW-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
CID 30303125
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56816908
2-(diethylamino)-2-phenyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56538633
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea (CID 113213861) is 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea?
The InChIKey is ODVHBUXJRJABEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17(2)23(15-18-9-5-3-6-10-18)20(24)22-16-21(13-14-21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H,22,24).
What are the key properties of 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea?
1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea has a molecular weight of 322.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 113213861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).