2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid

C21H25NO4 — CID 70158615

IUPAC2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid
SMILESCOc1ccc(C(C)CN(C(=O)O)c2ccccc2)cc1OCC1CC1
InChIInChI=1S/C21H25NO4/c1-15(13-22(21(23)24)18-6-4-3-5-7-18)17-10-11-19(25-2)20(12-17)26-14-16-8-9-16/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3,(H,23,24)
InChIKeyOPTODXGJYFNCSM-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.77
Rot. Bonds8

About 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid

2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid (PubChem CID 70158615) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid
PubChem CID70158615
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid
SMILESCOc1ccc(C(C)CN(C(=O)O)c2ccccc2)cc1OCC1CC1
InChIInChI=1S/C21H25NO4/c1-15(13-22(21(23)24)18-6-4-3-5-7-18)17-10-11-19(25-2)20(12-17)26-14-16-8-9-16/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3,(H,23,24)
InChIKeyOPTODXGJYFNCSM-UHFFFAOYSA-N
XLogP4.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol
CID 155366125
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
4-[3-(cyclopropylmethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 10158101
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
2,4-bis[3-bromo-4-(cyclopropylmethoxy)phenyl]pentan-3-one
CID 150261941
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid (CID 70158615) is 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid is COc1ccc(C(C)CN(C(=O)O)c2ccccc2)cc1OCC1CC1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid?
The InChIKey is OPTODXGJYFNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(13-22(21(23)24)18-6-4-3-5-7-18)17-10-11-19(25-2)20(12-17)26-14-16-8-9-16/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid?
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid has a molecular weight of 355.43 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid is sourced from PubChem (CID 70158615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).