1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea

C17H27N3O — CID 63995585

IUPAC1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1cccc(NC(=O)NC(C)CC2CC2)c1
InChIInChI=1S/C17H27N3O/c1-4-18-13(3)15-6-5-7-16(11-15)20-17(21)19-12(2)10-14-8-9-14/h5-7,11-14,18H,4,8-10H2,1-3H3,(H2,19,20,21)
InChIKeyNZEMNBATKVPBNM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds7

About 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea

1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea (PubChem CID 63995585) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
PubChem CID63995585
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1cccc(NC(=O)NC(C)CC2CC2)c1
InChIInChI=1S/C17H27N3O/c1-4-18-13(3)15-6-5-7-16(11-15)20-17(21)19-12(2)10-14-8-9-14/h5-7,11-14,18H,4,8-10H2,1-3H3,(H2,19,20,21)
InChIKeyNZEMNBATKVPBNM-UHFFFAOYSA-N
XLogP3.67
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 63995785
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
CID 65350042
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
3-cyclopentyl-N-[3-[1-(ethylamino)ethyl]phenyl]propanamide
CID 43507838
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea (CID 63995585) is 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea is CCNC(C)c1cccc(NC(=O)NC(C)CC2CC2)c1.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea?
The InChIKey is NZEMNBATKVPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-13(3)15-6-5-7-16(11-15)20-17(21)19-12(2)10-14-8-9-14/h5-7,11-14,18H,4,8-10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea?
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea has a molecular weight of 289.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 63995585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).