formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide

C29H48N4O5 — CID 143314595

About formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide

formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide (PubChem CID 143314595) has the molecular formula C29H48N4O5 and a molecular weight of 532.73 g/mol. Its IUPAC name is formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide.

Molecular Properties

• Compound Name: formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide
• PubChem CID: 143314595
• Molecular Formula: C29H48N4O5
• Molecular Weight: 532.73 g/mol
• Exact Mass: 532.36
• IUPAC Name: formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide
• SMILES: C=CCNC(=O)C(=O)C(CCCC)NC[C@@H]1C2C(CN1C(=O)[C@@H](NC=O)C1(C)CCCCC1)C2(C)C.C=O
• InChI: InChI=1S/C28H46N4O4.CH2O/c1-6-8-12-20(23(34)25(35)29-15-7-2)30-16-21-22-19(27(22,3)4)17-32(21)26(36)24(31-18-33)28(5)13-10-9-11-14-28;1-2/h7,18-22,24,30H,2,6,8-17H2,1,3-5H3,(H,29,35)(H,31,33);1H2/t19?,20?,21-,22?,24-;/m1./s1
• InChIKey: NKYOTKKFHYPUNM-KGTQRZRBSA-N
• XLogP: 2.39
• TPSA: 124.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.73
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide?

The IUPAC name of formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide (CID 143314595) is formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide.

What is the SMILES notation for formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide?

The canonical SMILES for formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide is C=CCNC(=O)C(=O)C(CCCC)NC[C@@H]1C2C(CN1C(=O)[C@@H](NC=O)C1(C)CCCCC1)C2(C)C.C=O.

What is the InChIKey of formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide?

The InChIKey is NKYOTKKFHYPUNM-KGTQRZRBSA-N. The full InChI is InChI=1S/C28H46N4O4.CH2O/c1-6-8-12-20(23(34)25(35)29-15-7-2)30-16-21-22-19(27(22,3)4)17-32(21)26(36)24(31-18-33)28(5)13-10-9-11-14-28;1-2/h7,18-22,24,30H,2,6,8-17H2,1,3-5H3,(H,29,35)(H,31,33);1H2/t19?,20?,21-,22?,24-;/m1./s1.

What are the key properties of formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide?

formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide has a molecular weight of 532.73 g/mol, XLogP of 2.39, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;3-[[(2S)-3-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-2-oxo-N-prop-2-enylheptanamide is sourced from PubChem (CID 143314595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).