1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea

C17H28N2O3 — CID 95192114

IUPAC1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
SMILESCCOCCCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O3/c1-4-22-13-5-12-18-17(20)19-14(2)6-7-15-8-10-16(21-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyDXMPVJFUZDPZFX-AWEZNQCLSA-N
MW308.42 g/mol
LogP2.74
Rot. Bonds10

About 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea

1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea (PubChem CID 95192114) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
PubChem CID95192114
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
SMILESCCOCCCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O3/c1-4-22-13-5-12-18-17(20)19-14(2)6-7-15-8-10-16(21-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyDXMPVJFUZDPZFX-AWEZNQCLSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
CID 110307825
3-[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913327
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 51096149

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea (CID 95192114) is 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea is CCOCCCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea?
The InChIKey is DXMPVJFUZDPZFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-22-13-5-12-18-17(20)19-14(2)6-7-15-8-10-16(21-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea?
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea has a molecular weight of 308.42 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 95192114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).