1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea

C16H25N3O — CID 61339846

IUPAC1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1cccc(NC(=O)N(C)C2CC2)c1
InChIInChI=1S/C16H25N3O/c1-4-10-17-12(2)13-6-5-7-14(11-13)18-16(20)19(3)15-8-9-15/h5-7,11-12,15,17H,4,8-10H2,1-3H3,(H,18,20)
InChIKeyWHCLMTPFRALSLM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.37
Rot. Bonds6

About 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea

1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea (PubChem CID 61339846) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
PubChem CID61339846
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1cccc(NC(=O)N(C)C2CC2)c1
InChIInChI=1S/C16H25N3O/c1-4-10-17-12(2)13-6-5-7-14(11-13)18-16(20)19(3)15-8-9-15/h5-7,11-12,15,17H,4,8-10H2,1-3H3,(H,18,20)
InChIKeyWHCLMTPFRALSLM-UHFFFAOYSA-N
XLogP3.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(2-methylsulfanylethyl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 115986998
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529
N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 82933701
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507889
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 64521431
3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
CID 61455487
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea (CID 61339846) is 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea is CCCNC(C)c1cccc(NC(=O)N(C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea?
The InChIKey is WHCLMTPFRALSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-10-17-12(2)13-6-5-7-14(11-13)18-16(20)19(3)15-8-9-15/h5-7,11-12,15,17H,4,8-10H2,1-3H3,(H,18,20).
What are the key properties of 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea?
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea has a molecular weight of 275.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61339846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).