1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea

C21H24N6O2 — CID 51945692

IUPAC1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESC[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C21H24N6O2/c1-14(5-6-15-7-11-19(28)12-8-15)22-21(29)23-17-4-2-3-16(13-17)20-24-25-26-27(20)18-9-10-18/h2-4,7-8,11-14,18,28H,5-6,9-10H2,1H3,(H2,22,23,29)/t14-/m1/s1
InChIKeyNRFNPUDVPGJCFA-CQSZACIVSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds7

About 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea

1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 51945692) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID51945692
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESC[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C21H24N6O2/c1-14(5-6-15-7-11-19(28)12-8-15)22-21(29)23-17-4-2-3-16(13-17)20-24-25-26-27(20)18-9-10-18/h2-4,7-8,11-14,18,28H,5-6,9-10H2,1H3,(H2,22,23,29)/t14-/m1/s1
InChIKeyNRFNPUDVPGJCFA-CQSZACIVSA-N
XLogP3.52
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea with MolForge

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 134042577
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 51127008
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea (CID 51945692) is 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea is C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is NRFNPUDVPGJCFA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(5-6-15-7-11-19(28)12-8-15)22-21(29)23-17-4-2-3-16(13-17)20-24-25-26-27(20)18-9-10-18/h2-4,7-8,11-14,18,28H,5-6,9-10H2,1H3,(H2,22,23,29)/t14-/m1/s1.
What are the key properties of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea?
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 392.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 51945692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).