N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide

C16H21N3O3 — CID 136580821

IUPACN-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)NCC1CC1
InChIInChI=1S/C16H21N3O3/c20-13-7-11-3-1-2-4-12(11)15(13)19-16(22)18-9-14(21)17-8-10-5-6-10/h1-4,10,13,15,20H,5-9H2,(H,17,21)(H2,18,19,22)/t13-,15+/m1/s1
InChIKeyZACAYQIETIBVCF-HIFRSBDPSA-N
MW303.36 g/mol
LogP0.47
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide

N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide (PubChem CID 136580821) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
PubChem CID136580821
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)NCC1CC1
InChIInChI=1S/C16H21N3O3/c20-13-7-11-3-1-2-4-12(11)15(13)19-16(22)18-9-14(21)17-8-10-5-6-10/h1-4,10,13,15,20H,5-9H2,(H,17,21)(H2,18,19,22)/t13-,15+/m1/s1
InChIKeyZACAYQIETIBVCF-HIFRSBDPSA-N
XLogP0.47
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 95267093
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487
2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(3-methylbutoxy)ethyl]urea
CID 110908580
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 136516477
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide (CID 136580821) is N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide is O=C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide?
The InChIKey is ZACAYQIETIBVCF-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-13-7-11-3-1-2-4-12(11)15(13)19-16(22)18-9-14(21)17-8-10-5-6-10/h1-4,10,13,15,20H,5-9H2,(H,17,21)(H2,18,19,22)/t13-,15+/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide?
N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide is sourced from PubChem (CID 136580821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).