1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea

C15H24N4O — CID 107654597

IUPAC1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea
SMILES[H]/N=C(\N)CCN(CC(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H24N4O/c1-12(2)11-19(9-8-14(16)17)15(20)18-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyYGADRYNJQPKKKP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds7

About 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea

1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea (PubChem CID 107654597) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea
PubChem CID107654597
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea
SMILES[H]/N=C(\N)CCN(CC(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H24N4O/c1-12(2)11-19(9-8-14(16)17)15(20)18-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyYGADRYNJQPKKKP-UHFFFAOYSA-N
XLogP2.18
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
1-(4-amino-4-hydroxy-4-phenylbutyl)-3-benzyl-1-(2-methylpropyl)urea
CID 67643320
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
3-benzyl-1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 107654375
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
N-(3-amino-3-iminopropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151692
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
benzyl N-[3-(benzylamino)-2-hydroxypropyl]-N-(2-methylpropyl)carbamate;hydrochloride
CID 173088993
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-benzyl-1-methylurea
CID 107654469
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea?
The IUPAC name of 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea (CID 107654597) is 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea?
The canonical SMILES for 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea is [H]/N=C(\N)CCN(CC(C)C)C(=O)NCc1ccccc1.
What is the InChIKey of 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea?
The InChIKey is YGADRYNJQPKKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)11-19(9-8-14(16)17)15(20)18-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H3,16,17)(H,18,20).
What are the key properties of 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea?
1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 107654597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).