N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide

C22H25N5O3 — CID 24660525

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
SMILESCOc1ccccc1C(NC(=O)CCNC(=O)Nc1ccccc1)c1nccn1C
InChIInChI=1S/C22H25N5O3/c1-27-15-14-23-21(27)20(17-10-6-7-11-18(17)30-2)26-19(28)12-13-24-22(29)25-16-8-4-3-5-9-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,26,28)(H2,24,25,29)
InChIKeySEVSFRDDKKDJKZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.85
Rot. Bonds8

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide (PubChem CID 24660525) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
PubChem CID24660525
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
SMILESCOc1ccccc1C(NC(=O)CCNC(=O)Nc1ccccc1)c1nccn1C
InChIInChI=1S/C22H25N5O3/c1-27-15-14-23-21(27)20(17-10-6-7-11-18(17)30-2)26-19(28)12-13-24-22(29)25-16-8-4-3-5-9-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,26,28)(H2,24,25,29)
InChIKeySEVSFRDDKKDJKZ-UHFFFAOYSA-N
XLogP2.85
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
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CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide
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N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
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3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55453424
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 166417619
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide (CID 24660525) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide is COc1ccccc1C(NC(=O)CCNC(=O)Nc1ccccc1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is SEVSFRDDKKDJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-27-15-14-23-21(27)20(17-10-6-7-11-18(17)30-2)26-19(28)12-13-24-22(29)25-16-8-4-3-5-9-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,26,28)(H2,24,25,29).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 407.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 24660525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).