1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea

C19H33N3O — CID 71875258

IUPAC1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea
SMILESCCC(C)NC(=O)NCC(CC(C)C)NC(C)c1ccccc1
InChIInChI=1S/C19H33N3O/c1-6-15(4)21-19(23)20-13-18(12-14(2)3)22-16(5)17-10-8-7-9-11-17/h7-11,14-16,18,22H,6,12-13H2,1-5H3,(H2,20,21,23)
InChIKeyPRMXUEOOCRAFFI-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.85
Rot. Bonds9

About 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea

1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea (PubChem CID 71875258) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea
PubChem CID71875258
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea
SMILESCCC(C)NC(=O)NCC(CC(C)C)NC(C)c1ccccc1
InChIInChI=1S/C19H33N3O/c1-6-15(4)21-19(23)20-13-18(12-14(2)3)22-16(5)17-10-8-7-9-11-17/h7-11,14-16,18,22H,6,12-13H2,1-5H3,(H2,20,21,23)
InChIKeyPRMXUEOOCRAFFI-UHFFFAOYSA-N
XLogP3.85
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea
CID 95772665
1-benzyl-3-butan-2-ylurea
CID 10512480
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
CID 122053761
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
ethyl N-[4-methyl-1-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 110949833
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea?
The IUPAC name of 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea (CID 71875258) is 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea is CCC(C)NC(=O)NCC(CC(C)C)NC(C)c1ccccc1.
What is the InChIKey of 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea?
The InChIKey is PRMXUEOOCRAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-6-15(4)21-19(23)20-13-18(12-14(2)3)22-16(5)17-10-8-7-9-11-17/h7-11,14-16,18,22H,6,12-13H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea?
1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea has a molecular weight of 319.49 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea is sourced from PubChem (CID 71875258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).