1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea

C14H23N3O2 — CID 64606150

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
SMILESCOCCC(C)NC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C14H23N3O2/c1-10(8-9-19-3)16-14(18)17-13-6-4-12(5-7-13)11(2)15/h4-7,10-11H,8-9,15H2,1-3H3,(H2,16,17,18)
InChIKeyQVYVJTTUQBZFBA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea

1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea (PubChem CID 64606150) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
PubChem CID64606150
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
SMILESCOCCC(C)NC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C14H23N3O2/c1-10(8-9-19-3)16-14(18)17-13-6-4-12(5-7-13)11(2)15/h4-7,10-11H,8-9,15H2,1-3H3,(H2,16,17,18)
InChIKeyQVYVJTTUQBZFBA-UHFFFAOYSA-N
XLogP2.25
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
1-[4-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471631
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
methyl 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-3-methylbutanoate
CID 61340214
1-[4-(1-cyanoethylsulfonyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 102563639
1-[4-[(1R)-1-cyanoethyl]sulfonylphenyl]-3-[(2R)-4-methoxybutan-2-yl]urea
CID 99800160
N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119625634
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47202620
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea (CID 64606150) is 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea is COCCC(C)NC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea?
The InChIKey is QVYVJTTUQBZFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(8-9-19-3)16-14(18)17-13-6-4-12(5-7-13)11(2)15/h4-7,10-11H,8-9,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea is sourced from PubChem (CID 64606150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).