1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea

C16H27N3O — CID 112985654

IUPAC1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
SMILESCCCN(CCC)c1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-5-11-19(12-6-2)15-9-7-14(8-10-15)18-16(20)17-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,20)
InChIKeyFXWTWTIMCOFDLT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.84
Rot. Bonds7

About 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea

1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea (PubChem CID 112985654) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
PubChem CID112985654
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
SMILESCCCN(CCC)c1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-5-11-19(12-6-2)15-9-7-14(8-10-15)18-16(20)17-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,20)
InChIKeyFXWTWTIMCOFDLT-UHFFFAOYSA-N
XLogP3.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dipropylamino)phenyl]-2-methylpropanamide
CID 112985613
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
CID 107566268
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119704527
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea (CID 112985654) is 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea is CCCN(CCC)c1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea?
The InChIKey is FXWTWTIMCOFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-11-19(12-6-2)15-9-7-14(8-10-15)18-16(20)17-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea?
1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea has a molecular weight of 277.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 112985654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).