1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea

C17H29N3O — CID 61340529

IUPAC1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1cccc(NC(=O)NC(C)(C)CC)c1
InChIInChI=1S/C17H29N3O/c1-6-11-18-13(3)14-9-8-10-15(12-14)19-16(21)20-17(4,5)7-2/h8-10,12-13,18H,6-7,11H2,1-5H3,(H2,19,20,21)
InChIKeyPOVWBIOMESYYSO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.06
Rot. Bonds7

About 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea

1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea (PubChem CID 61340529) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
PubChem CID61340529
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1cccc(NC(=O)NC(C)(C)CC)c1
InChIInChI=1S/C17H29N3O/c1-6-11-18-13(3)14-9-8-10-15(12-14)19-16(21)20-17(4,5)7-2/h8-10,12-13,18H,6-7,11H2,1-5H3,(H2,19,20,21)
InChIKeyPOVWBIOMESYYSO-UHFFFAOYSA-N
XLogP4.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
1-[3-(aminomethyl)phenyl]-3-(2-methylbutan-2-yl)urea
CID 43133022
2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507889
3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
CID 106098277
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
1-methyl-1-(2-methylsulfanylethyl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 115986998
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea (CID 61340529) is 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea is CCCNC(C)c1cccc(NC(=O)NC(C)(C)CC)c1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea?
The InChIKey is POVWBIOMESYYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-11-18-13(3)14-9-8-10-15(12-14)19-16(21)20-17(4,5)7-2/h8-10,12-13,18H,6-7,11H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea?
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea has a molecular weight of 291.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61340529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).