N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide

C19H25N3O3 — CID 91762043

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C19H25N3O3/c1-13-20-15-4-2-3-5-17(15)22(13)10-19(23)21-16-12-24-9-8-18(16)25-11-14-6-7-14/h2-5,14,16,18H,6-12H2,1H3,(H,21,23)/t16-,18+/m1/s1
InChIKeyQAGNMXOQAOEWNR-AEFFLSMTSA-N
MW343.43 g/mol
LogP2.05
Rot. Bonds6

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 91762043) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID91762043
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C19H25N3O3/c1-13-20-15-4-2-3-5-17(15)22(13)10-19(23)21-16-12-24-9-8-18(16)25-11-14-6-7-14/h2-5,14,16,18H,6-12H2,1H3,(H,21,23)/t16-,18+/m1/s1
InChIKeyQAGNMXOQAOEWNR-AEFFLSMTSA-N
XLogP2.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 91761499
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide
CID 91785665
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120598810
2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 51080822
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91774068
2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
CID 122135801
N-(2-cyclohexyl-6-oxopiperidin-3-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 46952784
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1,3-oxazole-5-carboxamide
CID 91790782
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 91762043) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is QAGNMXOQAOEWNR-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-20-15-4-2-3-5-17(15)22(13)10-19(23)21-16-12-24-9-8-18(16)25-11-14-6-7-14/h2-5,14,16,18H,6-12H2,1H3,(H,21,23)/t16-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 91762043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).