1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea

C26H31N3O5 — CID 10298567

IUPAC1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1
InChIInChI=1S/C26H31N3O5/c1-33-25-9-5-6-21(15-25)29-26(32)28-20-12-10-19(11-13-20)14-22(17-30)27-16-23(31)18-34-24-7-3-2-4-8-24/h2-13,15,22-23,27,30-31H,14,16-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1
InChIKeyAMPFAWSAQNNVDP-GOTSBHOMSA-N
MW465.55 g/mol
LogP3.27
Rot. Bonds12

About 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea

1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 10298567) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea
PubChem CID10298567
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1
InChIInChI=1S/C26H31N3O5/c1-33-25-9-5-6-21(15-25)29-26(32)28-20-12-10-19(11-13-20)14-22(17-30)27-16-23(31)18-34-24-7-3-2-4-8-24/h2-13,15,22-23,27,30-31H,14,16-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1
InChIKeyAMPFAWSAQNNVDP-GOTSBHOMSA-N
XLogP3.27
TPSA112.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
tert-butyl N-[(2S)-1-[4-[(3-aminophenyl)carbamoylamino]phenyl]-3-hydroxypropan-2-yl]-N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 91198929
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
CID 106159850
(2S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-(4-quinolin-3-yloxyphenyl)propan-1-ol
CID 57226983
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
CID 54335726
N-ethyl-4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-7-carboxamide
CID 70164182

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea (CID 10298567) is 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1.
What is the InChIKey of 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is AMPFAWSAQNNVDP-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-33-25-9-5-6-21(15-25)29-26(32)28-20-12-10-19(11-13-20)14-22(17-30)27-16-23(31)18-34-24-7-3-2-4-8-24/h2-13,15,22-23,27,30-31H,14,16-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1.
What are the key properties of 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea?
1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 465.55 g/mol, XLogP of 3.27, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 10298567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).