1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea

C15H21N3O3 — CID 40519801

IUPAC1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCOCCn1cc(NC(=O)NC[C@H](C)O)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(19)9-16-15(20)17-13-10-18(7-8-21-2)14-6-4-3-5-12(13)14/h3-6,10-11,19H,7-9H2,1-2H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyHYXJYVSWSWGRIX-NSHDSACASA-N
MW291.35 g/mol
LogP1.79
Rot. Bonds6

About 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea

1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea (PubChem CID 40519801) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
PubChem CID40519801
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCOCCn1cc(NC(=O)NC[C@H](C)O)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(19)9-16-15(20)17-13-10-18(7-8-21-2)14-6-4-3-5-12(13)14/h3-6,10-11,19H,7-9H2,1-2H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyHYXJYVSWSWGRIX-NSHDSACASA-N
XLogP1.79
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430
4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 40519785
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519751
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea (CID 40519801) is 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea is COCCn1cc(NC(=O)NC[C@H](C)O)c2ccccc21.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The InChIKey is HYXJYVSWSWGRIX-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)9-16-15(20)17-13-10-18(7-8-21-2)14-6-4-3-5-12(13)14/h3-6,10-11,19H,7-9H2,1-2H3,(H2,16,17,20)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea?
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea has a molecular weight of 291.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea is sourced from PubChem (CID 40519801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).