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

C16H26N4O — CID 61465218

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
SMILESCCNC(C)c1cccc(NC(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C16H26N4O/c1-4-17-12(2)13-6-5-7-14(10-13)18-16(21)19-15-8-9-20(3)11-15/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3,(H2,18,19,21)
InChIKeyXADBLNRAOMVIEZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds5

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

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea (PubChem CID 61465218) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
PubChem CID61465218
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
SMILESCCNC(C)c1cccc(NC(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C16H26N4O/c1-4-17-12(2)13-6-5-7-14(10-13)18-16(21)19-15-8-9-20(3)11-15/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3,(H2,18,19,21)
InChIKeyXADBLNRAOMVIEZ-UHFFFAOYSA-N
XLogP2.18
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
CID 61464965
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
3-cyclopentyl-N-[3-[1-(ethylamino)ethyl]phenyl]propanamide
CID 43507838
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea (CID 61465218) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea is CCNC(C)c1cccc(NC(=O)NC2CCN(C)C2)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea?
The InChIKey is XADBLNRAOMVIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-17-12(2)13-6-5-7-14(10-13)18-16(21)19-15-8-9-20(3)11-15/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 61465218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).